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Orbital group

The origin of the preference for the eclipsed conformation of propene can be explained in MO terms by focusing attention on the interaction between the double bond and the n component of the orbitals associated with the methyl group. The dominant interaction is a repulsive one between the filled methyl group orbitals and the filled n orbital of the double bond. This repulsive interaction is greater in the bisected conformation than in the eclipsed conformation. ... [Pg.132]

A Unified Approach Based on Bond Orbitals and Group Orbitals... [Pg.1]

CC and CH bond orbitals but also for the CTL, ami CH3 group orbitals. If the local symmetry elements are preserved in the full molecule, the 7r (or a) local orbitals can combine to give v (or o) molecular orbitals. The reader should, therefore, not be surprised to find, for instance, tt type molecular orbitals in cyclopropane which are delocalized over the CH2 groups. [Pg.3]

Two 7r-type CH2 group orbitals can be constructed in a similar manner (Fig. 7). The two electrons in the bonding 7tCH2 combination bring the total number of CH2 electrons to four, corresponding to the two electron pairs in the CH bonds. The reader will find 7rCH2... [Pg.6]

The interaction between the three cr localized orbitals is slightly more complex. As we have just shown, it is proper to start by combining orbitals of same energy (the crCIf2 pair), and then to interact the new combinations with the remaining orbitals. The procedure is simple here because, by symmetry, only the in-phase combination of the crCH2 group orbitals mixes with the acc bond orbital (see Fig. 17). The reader will notice that the acc orbital has been placed,... [Pg.13]

Another example which illustrates beautifully the mixing of a group orbitals to form delocalized molecular orbitals is benzene. First of all the six crcc bond orbitals interact to give six linear combinations which are delocalized over the entire carbon skeleton. The amplitudes of the various bond orbitals in each [Pg.23]

Are the Interactions between Localized Group Orbitals Useful in Predicting the Chemical Properties of Molecules ... [Pg.31]

Many applications have not been dealt with. For instance, it now appears possible to construct, from elementary group orbitals, the... [Pg.43]

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See also in sourсe #XX -- [ Pg.5 , Pg.264 ]



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Group orbitals

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